@MOLECULE acetanisole 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0145 -0.4990 0.0001 O.3 1 UNL1111111111 -0.3123 2 O 3.0255 1.3036 -0.0007 O.2 1 UNL1111111111 -0.4705 3 C 1.0785 0.0039 -0.0002 C.ar 1 UNL1111111111 -0.2476 4 C -1.6865 -0.2296 -0.0000 C.ar 1 UNL1111111111 0.2925 5 C 0.4827 -1.2636 -0.0006 C.ar 1 UNL1111111111 -0.0335 6 C 0.2734 1.1469 0.0002 C.ar 1 UNL1111111111 0.0015 7 C -0.8958 -1.3936 -0.0004 C.ar 1 UNL1111111111 -0.2830 8 C -1.1144 1.0437 0.0003 C.ar 1 UNL1111111111 -0.3320 9 C 2.5452 0.1928 0.0001 C.2 1 UNL1111111111 0.5059 10 C 3.4344 -1.0179 0.0009 C.3 1 UNL1111111111 -0.5455 11 C -3.9080 0.6072 0.0002 C.3 1 UNL1111111111 -0.2032 12 H 1.1026 -2.1619 -0.0009 H 1 UNL1111111111 0.1533 13 H 0.7479 2.1352 0.0004 H 1 UNL1111111111 0.1739 14 H -1.3760 -2.3684 -0.0008 H 1 UNL1111111111 0.1751 15 H -1.7242 1.9402 0.0007 H 1 UNL1111111111 0.1686 16 H 3.2716 -1.6387 -0.8891 H 1 UNL1111111111 0.1723 17 H 3.2694 -1.6394 0.8900 H 1 UNL1111111111 0.1722 18 H 4.4957 -0.7229 0.0025 H 1 UNL1111111111 0.1807 19 H -3.7839 1.2099 -0.9050 H 1 UNL1111111111 0.1378 20 H -3.7845 1.2094 0.9057 H 1 UNL1111111111 0.1378 21 H -4.8887 0.1109 -0.0001 H 1 UNL1111111111 0.1558 @BOND 1 1 4 1 2 1 11 1 3 2 9 2 4 3 5 ar 5 3 6 ar 6 3 9 1 7 4 7 ar 8 4 8 ar 9 5 7 ar 10 5 12 1 11 6 8 ar 12 6 13 1 13 7 14 1 14 8 15 1 15 9 10 1 16 10 16 1 17 10 17 1 18 10 18 1 19 11 19 1 20 11 20 1 21 11 21 1